methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate

C14H23N3O2 — CID 63919117

IUPACmethyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate
SMILESCCc1c(C)nn(CC(N)(C(=O)OC)C2CC2)c1C
InChIInChI=1S/C14H23N3O2/c1-5-12-9(2)16-17(10(12)3)8-14(15,11-6-7-11)13(18)19-4/h11H,5-8,15H2,1-4H3
InChIKeyJFFAWJNYRWSGFK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.34
Rot. Bonds5

About methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate

methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 63919117) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID63919117
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate
SMILESCCc1c(C)nn(CC(N)(C(=O)OC)C2CC2)c1C
InChIInChI=1S/C14H23N3O2/c1-5-12-9(2)16-17(10(12)3)8-14(15,11-6-7-11)13(18)19-4/h11H,5-8,15H2,1-4H3
InChIKeyJFFAWJNYRWSGFK-UHFFFAOYSA-N
XLogP1.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate (CID 63919117) is methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate is CCc1c(C)nn(CC(N)(C(=O)OC)C2CC2)c1C.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is JFFAWJNYRWSGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-12-9(2)16-17(10(12)3)8-14(15,11-6-7-11)13(18)19-4/h11H,5-8,15H2,1-4H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate?
methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 265.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 63919117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).